4-chloranyl-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(2-ketoazepan-3-yl)-N-vanillyl-benzenesulfonamide Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H23ClN2O5S/c1-28-19-12-14(5-10-18(19)24)13-23(17-4-2-3-11-22-20(17)25)29(26,27)16-8-6-15(21)7-9-16/h5-10,12,17,24H,2-4,11,13H2,1H3,(H,22,25)